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Ryan E. Cowley, Gemma J. Christian, William W. Brennessel, Frank Neese and Patrick L. Holland A Reduced (β-Diketiminato)iron Complex with End-On and Side-On Nitriles: Strong Backbonding or Ligand Non-Innocence? European Journal of Inorganic Chemistry 2012

Version of Record online: 10 OCT 2011 | DOI: 10.1002/ejic.201100787

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In the S = 3/2 molecule LMeFe(NCtBu)2, the side-on nitrile ligand has N–C–C bending and N–C weakening that suggests partial reduction of the nitrile group. Even though the molecule has three unpaired spins, the interaction between the iron atom and the nitrile ligand is two-electron backbonding rather than redox non-innocence.

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